mikemhenry/cme-lab-images:mbuild
$ singularity pull shub://mikemhenry/cme-lab-images:mbuild
Singularity Recipe
Bootstrap: shub
From: shub://singularity-hub.org/mikemhenry/cme-lab-images:hoomd
%help
Base HOOMD image used in CME-Lab workflows.
http://coen.boisestate.edu/cmelab/
%setup
%files
spec-file.txt
%labels
Maintainer Mike Henry
Maintaine_rEmail mikehenry@boisestate.edu
Version v0.01
%environment
%post
CONDA_DIR="/opt/conda"
PATH="$CONDA_DIR/bin:$PATH"
# System deps
apt-get update && apt-get install -y --no-install-recommends libxrender1 libxext6 libcairo2
conda install --file spec-file.txt -y
#conda install -c cmelab -c mosdef -c bioconda -c glotzer -c omnia -c openbabel -y mbuild notebook gsd openbabel
conda clean -tipsy
nglview install
nglview enable
jupyter nbextension enable --py --sys-prefix widgetsnbextension
# These are some speical forks that have merged in pedning PRs
pip install --no-cache-dir --upgrade git+https://github.com/mikemhenry/foyer.git@f0c8d69087f9 git+https://github.com/mikemhenry/mbuild.git@ac3cea9e725a
%runscript
jupyter notebook --port=9989 --ip='*' --no-browser --allow-root --NotebookApp.iopub_data_rate_limit=100000000
%test
Collection
- Name: mikemhenry/cme-lab-images
- License: None
View on Datalad
Metrics
key | value |
---|---|
id | /containers/mikemhenry-cme-lab-images-mbuild |
collection name | mikemhenry/cme-lab-images |
branch | master |
tag | mbuild |
commit | 13bea269668d51287e5ecaa17688a0e27128b672 |
version (container hash) | be7416d36d60dbb083ed1a272bced2a3 |
build date | 2018-07-06T23:39:12.192Z |
size (MB) | 3267 |
size (bytes) | 1572511775 |
SIF | Download URL (please use pull with shub://) |
Datalad URL | View on Datalad |
Singularity Recipe | Singularity Recipe on Datalad |
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